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Ethyl (E)-2-ethyl-3-ethyl-4-hexenoate
SpectraBase Compound ID 1M4N6jqxhvQ
InChI InChI=1S/C12H22O2/c1-5-9-10(6-2)11(7-3)12(13)14-8-4/h5,9-11H,6-8H2,1-4H3/b9-5+/t10-,11-/m0/s1
InChIKey NXRJDFYLVMDNDL-VREQRIBMSA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Y078McIRP9
Name Ethyl (E)-2-ethyl-3-ethyl-4-hexenoate
Alternate Name(s) (2S,3S,E)-ethyl 2,3-diethylhex-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-5-9-10(6-2)11(7-3)12(13)14-8-4/h5,9-11H,6-8H2,1-4H3/b9-5+/t10-,11-/m0/s1
InChIKey NXRJDFYLVMDNDL-VREQRIBMSA-N
Literature Reference DOI 10.1021/ol800727f
Molecular Weight 198.306 g/mol
SMILES C\C=C\[C@@]([C@](CC)(C(=O)OCC)[H])(CC)[H]
SPLASH splash10-067i-9500000000-bb146043f5813f11672b
Source of Spectrum A1-10-2087/SMS5-6b
Wiley ID 1759476